基本情報
- CAS
1073-11-6- 標準SMILES
C=CC1(C)CCC(=O)O1- InChIKey
QESPSAHXYXIGBG-UHFFFAOYSA-N- 分子式
- C7H10O2
- 平均分子量
- 126.15 g/mol
- 単同位体質量
- 126.06807956
概要
4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is a gamma-lactone.
名称と識別子
- 優先名称
- 4-HYDROXY-4-METHYL-5-HEXENOIC ACID gamma LACTONE
- IUPAC
- 5-ethenyl-5-methyloxolan-2-one
- 現地名
- ジヒドロ-5-メチル-5-エテニルフラン-2(3H)-オン
- 英語名
- dihydro-5-methyl-5-vinylfuran-2(3H)-one
- 分子式
- C7H10O2
- 分子量
- 126.15
名称と別名
5-ethenyl-5-methyloxolan-2-one1073-11-62(3H)-Furanone, 5-ethenyldihydro-5-methyl-Lavender lactone5-Ethenyldihydro-5-methyl-2(3H)-furanone4-Methyl-5-hexen-4-olidelilac lactone4-Methyl-4-vinyl-4-butanolide4-Methyl-4-vinyl-1,4-butanolide4-Hydroxy-4-methyl-5-hexenoic acid gamma lactoneDihydro-5-methyl-5-vinyl-2(3H)-furanoneDihydro-5-methyl-5-vinylfuran-2(3H)-one
名称をさらに表示
γ-ビニル-γ-バレロラクトンラベンデルラクトン5-メチル-5-ビニル-2,3,4,5-テトラヒドロフラン-2-オン5-エテニル-4,5-ジヒドロ-5-メチルフラン-2(3H)-オンジヒドロ-5-メチル-5-エテニルフラン-2(3H)-オン4,5-ジヒドロ-5-メチル-5-ビニル-2(3H)-フラノン5-メチル-5-エテニル-4,5-ジヒドロフラン-2(3H)-オン4,5-ジヒドロ-5-エテニル-5-メチルフラン-2(3H)-オンγ-Vinyl-γ-Valerolactone5-methyl-5-vinyldihydrofuran-2(3H)-one4,5-Dihydro-5-methyl-5-vinyl-2(3H)-furanone
S2GF56OA972(3H)-Furanone, dihydro-5-methyl-5-vinyl-.gamma.-Vinyl-.gamma.-valerolactoneEINECS 214-024-62-Vinyl-2-methyltetrahydrofuran-5-oneFEMA NO. 4051DTXSID40862523.gamma.-Methyl-.gamma.-vinyl-.gamma.-butyrolactone
データベース識別子
- CAS
1073-11-6- PubChem CID
- 102550
- DTXSID
DTXSID40862523- ChEBI
CHEBI:195835- UNII
- S2GF56OA97
- EC Number
- 214-024-6
- Nikkaji
- J109.966C
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 151
実験および物理化学的性質
Chemical ClassesOther Classes -> Lactones
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.015-1.025 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in nonpolar solvents
soluble (in ethanol)
Boiling Point219 °C
Refractive Index1.457-1.462
Physical DescriptionClear, colourless liquid; floral aroma
物理化学的性質
- 沸点
- 89 · 89-90 °C(Press: 10 Torr)
- 比重(密度)
- 1.0218 g/cm3 · 1.0218 g/cm3
- FEMA
- 4051 · 4051 | 4-HYDROXY-4-METHYL-5-HEXENOIC ACID GAMMA LACTONE
- 貯蔵温度
- 2 · 2-8°C, stored under nitrogen
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] See Butyrolactone.
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2(3H)-Furanone, 5-ethenyldihydro-5-methyl-: INACTIVE
応用分野
天然物の起源Reportedly present in papaya, wine, tea, grapes (Vitis vinifera), coriander seed, calamus, sage and maté
使用4-Methyl-4-vinyl-4-butanolide is an intermediate in the synthesis of γ-CEHC (C249200) which is a metabolite of γ-Tocopherol (T526140); one of the naturally occurring forms of Vitamin E found most abundantly in soybean and corn oils.
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